6-(2,6-difluorophenylmethyl)-5-methyl-1,2,3,4-tetrahydro-2-thiopyrimidin

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(2,6-difluorophenylmethyl)-5-methyl-1,2,3,4-tetrahydro-2-thiopyrimidin
• 英文别名: 6-[(2,6-Difluorophenyl)methyl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2-thiol；6-[(2,6-difluorophenyl)methyl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2-thiol
• 化学式: C₁₂H₁₄F₂N₂S
• 分子量: 256.319
• InChiKey: IIGHZRNHIQPBJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.1
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-(2,6-difluorophenylmethyl)-5-methyl-1,2,3,4-tetrahydro-2-thiopyrimidin 、 氯甲基甲硫醚 生成 6-(2,6-difluorophenylmethyl)-3,4-dihydro-5-methyl-2-(methylthiomethylthio)pyrimidin-4(3H)-one
  参考文献：
  名称：

  Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines

  摘要：

  一种抑制HIV性传播的方法，包括将一种含有非核苷类反转录酶抑制剂（“NNRTI”）的组合物局部涂抹于人体的皮肤或上皮组织上，该NNRTI能够在浓度低于10 &mgr;M的情况下抑制病毒复制，持续时间超过12、24或36天。在一种实施方式中，NNRTI是一种二氢烷氧基苯基嘧啶（DABO）。

  公开号：

  US20030008887A1

文献信息

• SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Novirio Pharmaceuticals Limited

  公开号：EP1098887A1

  公开（公告）日：2001-05-16
• [EN] SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] 6-BENZYL-4-OXOPYRIMIDINES SUBSTITUES, PROCEDE POUR LEUR PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：NOVIRIO PHARMACEUTICALS LIMITE

  公开号：WO2000003998A1

  公开（公告）日：2000-01-27

  The invention concerns novel substituted 6-benzyl-4-oxopyrimidines of general formula (A). These compounds inhibit reverse transcriptase encoded by human immunodeficiency virus (HIV) or pharmaceutically acceptable salts thereof, and find their application in the prevention and treatment of HIV infection and the treatment of the resulting acquired immune deficiency syndrome (AIDS). Pharmaceutical compositions containing the compounds and a method of use of the present compounds and other agents for the treatment of AIDS and viral infection by HIV are also envisaged.